Compound Identification
SMILES
CCCN1C2=C(N(CCN3CCOCC3)C(=N2)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC1=O
InChIKey
InChIKey=NQGMKFPJXBSMLW-UHFFFAOYSA-N
Formula
C21H24F3N5O3
Mass
451.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
Phenylimidazoles 6-oxopurines Trifluoromethylbenzenes Alkaloids and derivatives Pyrimidones Morpholines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Trifluoromethylbenzene - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Urea - Lactam - Azacycle - Oxacycle - Dialkyl ether - Ether - Alkyl halide - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available